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Home> Encyclopedia > Hot Product Listed 5   > 5-Nonyn-3-ol
1076-74-0 structure

5-Nonyn-3-ol

Iupac Name:5-methoxy-2-methyl-1H-indole
CAS No.:1076-74-0
Molecular Weight:161.204
Molecular Formula:C20H28O4 (isomer)
Names and Identifiers
Synonyms

3-hydroxynon-5-yne AC1L3MFL AKOS006227874 CHEBI:131369 CTK1H2319 FT-0692798 KB-43941 MCULE-9054911310 non-5-yn-3-ol TIMTEC-BB SBB009140

Inchi
InChI=1S/C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-6,11H,1-2H3
InChkey
VSWGLJOQFUMFOQ-UHFFFAOYSA-N
Canonical Smiles
CC1=CC2=C(N1)C=CC(=C2)OC
Properties
Density
1.262
Melting Point
85-88℃
Vapour
0.00123mmHg at 25°C
Refractive Index
1.621
Flash Point
259.6°C
HS Code
29339900
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
HazardClass
IRRITANT
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:161.204g/mol
  • Molecular Formula:C20H28O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:2
  • Exact Mass:161.084
  • Monoisotopic Mass:161.084
  • Complexity:160
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:25A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQAAAADAyBngIyxvLJlACg AyRiRACCiCAhIiAImSA2bJgMJuLEsZuEMChk0BHI6Aew0LMOAEABAAACAAAAgAIAAAQAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-25-83453275
  • Tel:86-571-87396430
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  • Tel:86-21-34226250
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  • Fax:86-21-33250189
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